SCHEMBL6323609

SCHEMBL6323609

COc1ccc(-c2noc(N)c2C(=O)NCc2cccc(F)c2)cn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
CDK2 P24941 1/20 0.42
GSK3B P49841 1/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
GABRA5 P31644 2/20 0.41
SRC P12931 1/20 0.41
GABRA1 P14867 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6316080 0.91 ALDH1A1 (0.48) ADORA2AALDH1A1HPGDCDK2GSK3B
SCHEMBL6315498 0.90 POLB (0.52) ALDH1A1HPGDROCK2ROCK1CDK2
SCHEMBL6324039 0.89 ALDH1A1 (0.52) LMNAALDH1A1HPGDCDK2GSK3B
SCHEMBL6316803 0.89 ROCK2 (0.46) ALDH1A1ROCK2ROCK1POLB
SCHEMBL6323629 0.89 MET (0.44) LMNAALDH1A1ROCK2ROCK1CDK2
SCHEMBL6321897 0.86 SMN1; SMN2 (0.47) LMNAALDH1A1HPGDPOLBHDAC1
SCHEMBL6323365 0.85 CDK2 (0.47) TP53LMNAALDH1A1CDK2GSK3B
SCHEMBL6316520 0.85 MAPT (0.52) TP53LMNAALDH1A1HPGDCDK2
SCHEMBL6318699 0.84 TACR1 (0.44) LMNAALDH1A1CDK2GSK3BHDAC1
SCHEMBL6317197 0.84 LMNA (0.44) TP53LMNAALDH1A1HPGDROCK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US claimed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP claimed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO claimed
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2005-03-17 US disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050059657-A1 Aminoisoxazole derivatives active as kinase inhibitors MAP3K9, MAP3K19, MAP4K2 ADORA2A 1101/4885ADORA2B 2092/4885TP53 609/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.